| This work builds upon the previous research carried out in the development of a simulation that incorporated a dynamically-updating velocity profile and electric interactions between particles with a Force Bias Monte Carlo method. Surface roughness of the membranes is added to this work, by fixing particles to the membrane surface. Additionally, the previous electric interactions are verified through the addition of an all-range solution to the calculation of the electrostatic double layer potential between two particles. Numerous numerical refinements are made to the simulation in order to ensure accuracy and confirm that previous results using single-precision variables are accurate when compared to double-precision work. Finally, the method by which the particles move within a Monte Carlo step was altered in order to implement a different data handling structure for the parallel environment. This new data handling structure greatly reduces the runtime while providing a more realistic movement scheme for the particles. Additionally, this data handling scheme offers the possibility of using a variety of n-body algorithms that could, in the future, improve the speed of the simulation in cases with very high particle counts. |
